ChemSpider 2D Image | (5-Chloro-2-thienyl)[2-{[(3S)-3-fluoro-1-pyrrolidinyl]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methanone | C17H20ClFN4OS

(5-Chloro-2-thienyl)[2-{[(3S)-3-fluoro-1-pyrrolidinyl]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methanone

  • Molecular FormulaC17H20ClFN4OS
  • Average mass382.883 Da
  • Monoisotopic mass382.103027 Da
  • ChemSpider ID29717174

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5-Chlor-2-thienyl)[2-{[(3S)-3-fluor-1-pyrrolidinyl]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methanon [German] [ACD/IUPAC Name]
(5-Chloro-2-thienyl)[2-{[(3S)-3-fluoro-1-pyrrolidinyl]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methanone [ACD/IUPAC Name]
(5-Chloro-2-thiényl)[2-{[(3S)-3-fluoro-1-pyrrolidinyl]méthyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazépin-5(6H)-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, (5-chloro-2-thienyl)[2-[[(3S)-3-fluoro-1-pyrrolidinyl]methyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]- [ACD/Index Name]
5-[(5-chloro-2-thienyl)carbonyl]-2-{[(3S)-3-fluoro-1-pyrrolidinyl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 559.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±30.1 °C
Index of Refraction: 1.708
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 22.93
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.09
ACD/KOC (pH 7.4): 177.42
Polar Surface Area: 70 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 253.3±7.0 cm3

Click to predict properties on the Chemicalize site


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